General Information of the Compound
| Compound ID |
CP0206283
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| Compound Name |
2-[4-(3-{[(1S)-1-(carboxymethyl)-2,3-dihydro-1H-inden-5-yl]oxy}propoxy)-3-propylphenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
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| Structure |
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| Formula |
C28H31NO6S
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| Molecular Weight |
509.624
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| Canonical SMILES |
CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(C)c(s1)C(O)=O
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| InChI |
InChI=1S/C28H31NO6S/c1-3-5-20-14-21(27-29-17(2)26(36-27)28(32)33)8-11-24(20)35-13-4-12-34-22-9-10-23-18(15-22)6-7-19(23)16-25(30)31/h8-11,14-15,19H,3-7,12-13,16H2,1-2H3,(H,30,31)(H,32,33)/t19-/m0/s1
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| InChIKey |
FKPYJIJYMXBAFW-IBGZPJMESA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound